Olean-12-ene-28,29-dioic acid, 2,3-dihydroxy-, 29-methyl ester, (2β,3β,20β)-
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Olean-12-ene-28,29-dioic acid, 2,3-dihydroxy-, 29-methyl ester, (2β,3β,20β)-
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CAS No:
75206-90-5
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Formula:
C31H48O6
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Chemical Name:
Olean-12-ene-28,29-dioic acid, 2,3-dihydroxy-, 29-methyl ester, (2β,3β,20β)-
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Synonyms:
Olean-12-ene-28,29-dioic acid,2,3-dihydroxy-,29-methyl ester,(2β,3β,20β)-;Pokeberrygenin
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CAS No:
Olean-12-ene-28,29-dioic acid, 2,3-dihydroxy-, 29-methyl ester, (2β,3β,20β)- Basic Attributes
516.7 g/mol
516.71
Computed Properties
Molecular Weight:516.7
XLogP3:5.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:516.34508925
Monoisotopic Mass:516.34508925
Topological Polar Surface Area:104
Heavy Atom Count:37
Complexity:1030
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Olean-12-ene-28,29-dioic acid, 24-(β-D-glucopyranosyloxy)-3-hydroxy-, 29-[(3β,20α)-17-carboxy-3-oxo-28-norolean-12-en-29-yl] ester, (3β,4β,20α)- (9CI) Formula
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